SCHEMBL2284113

SCHEMBL2284113

O=C(NCC#CCc1cn([C@@H]2CC[C@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.39
TK2 O00142 1/20 0.39
LMNA P02545 4/20 0.38
ALOX12 P18054 1/20 0.38
ADRA1A P35348 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALB P02768 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12373120 1.00 TK1 (0.39) TK1TK2LMNAALOX12ADRA1A
SCHEMBL14238797 0.89 TERT (0.36) TK1TK2
SCHEMBL2276807 0.88 LMNA (0.34) TK1TK2LMNAALOX12ADRA1A
SCHEMBL14238795 0.88 TK2 (0.40) TK1TK2LMNAALBALDH1A1
SCHEMBL2619409 0.87 LMNA (0.41) TK1TK2LMNAALOX12ADRA1A
SCHEMBL8476369 0.87 LMNA (0.38) LMNAALOX12ADRA1ASMN1; SMN2ALB
SCHEMBL8476367 0.87 LMNA (0.38) LMNAALOX12ADRA1ASMN1; SMN2ALB
SCHEMBL2284827 0.86 TOP2A (0.39)
SCHEMBL2284831 0.86 TOP2A (0.39)
SCHEMBL13366957 0.85 TK1 (0.43) TK1TK2LMNAALOX12ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods Life Technologies Corporation (US) 2012-12-06 US disclosed
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS Life Technologies Corporation (US) 2010-05-06 US disclosed
US-20050214843-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-09-29 US disclosed
WO-2005063787-A2 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS APPLERA CORPORATION (US) 2005-07-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 TK1 342/4885TK2 625/4885LMNA 323/4885
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT TK1 85/4885TK2 112/4885LMNA 314/4885
US-20050214843-A1 Pyrimidine nucleobases DPYD, PNP, UMPS TK1 123/4885TK2 225/4885LMNA 1016/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.